1TK9
Crystal Structure of Phosphoheptose isomerase 1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X9A |
Synchrotron site | NSLS |
Beamline | X9A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-04-30 |
Detector | MARRESEARCH |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 52.657, 123.289, 127.804 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.780 - 2.100 |
R-factor | 0.182 |
Rwork | 0.182 |
R-free | 0.21100 |
Structure solution method | SAD |
Starting model (for MR) | Experimental electron density |
RMSD bond length | 0.006 |
RMSD bond angle | 1.100 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 2.180 |
High resolution limit [Å] | 2.100 | 2.100 |
Number of reflections | 93549 | |
<I/σ(I)> | 13.3 | 2.06 |
Completeness [%] | 99.6 | 98.7 |
Redundancy | 3.07 | 2.94 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 20% peg mme 2k, 0.1M bis-tris, 0.1M na acetate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |